1-(3-chlorothiophen-2-yl)-N-methyltridecan-1-amine

C18H32ClNS — CID 115846498

IUPAC1-(3-chlorothiophen-2-yl)-N-methyltridecan-1-amine
SMILESCCCCCCCCCCCCC(NC)c1sccc1Cl
InChIInChI=1S/C18H32ClNS/c1-3-4-5-6-7-8-9-10-11-12-13-17(20-2)18-16(19)14-15-21-18/h14-15,17,20H,3-13H2,1-2H3
InChIKeyJEVULBRNIRYRHM-UHFFFAOYSA-N
MW329.98 g/mol
LogP6.97
Rot. Bonds13

About 1-(3-chlorothiophen-2-yl)-N-methyltridecan-1-amine

1-(3-chlorothiophen-2-yl)-N-methyltridecan-1-amine (PubChem CID 115846498) has the molecular formula C18H32ClNS and a molecular weight of 329.98 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-N-methyltridecan-1-amine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-N-methyltridecan-1-amine
PubChem CID115846498
Molecular FormulaC18H32ClNS
Molecular Weight329.98 g/mol
Exact Mass329.19
IUPAC Name1-(3-chlorothiophen-2-yl)-N-methyltridecan-1-amine
SMILESCCCCCCCCCCCCC(NC)c1sccc1Cl
InChIInChI=1S/C18H32ClNS/c1-3-4-5-6-7-8-9-10-11-12-13-17(20-2)18-16(19)14-15-21-18/h14-15,17,20H,3-13H2,1-2H3
InChIKeyJEVULBRNIRYRHM-UHFFFAOYSA-N
XLogP6.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.98
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorothiophen-2-yl)nonylhydrazine
CID 105294361
1-(3-chlorothiophen-2-yl)-N-ethylundecan-1-amine
CID 115846003
1-(3-chlorothiophen-2-yl)-N-propyldecan-1-amine
CID 80529601
1-(3-chlorothiophen-2-yl)-N,5-dimethylhexan-1-amine
CID 105028560
N-methyl-1-(3-methylthiophen-2-yl)octan-1-amine
CID 63502985
N-methyl-1-(3-methylthiophen-2-yl)nonan-1-amine
CID 65448392
1-(3-bromothiophen-2-yl)-N-methyloctan-1-amine
CID 80534752
1-(3-chlorothiophen-2-yl)tridecan-1-ol
CID 115789521
2-(1-bromoheptyl)-3-chlorothiophene
CID 114753686
1-(3-chlorothiophen-2-yl)heptan-1-amine
CID 114752614
1-(3-ethylthiophen-2-yl)-N-methylhexan-1-amine
CID 115837220
1-(3-chlorothiophen-2-yl)hexan-1-ol
CID 80530393

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-N-methyltridecan-1-amine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-N-methyltridecan-1-amine (CID 115846498) is 1-(3-chlorothiophen-2-yl)-N-methyltridecan-1-amine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-N-methyltridecan-1-amine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-N-methyltridecan-1-amine is CCCCCCCCCCCCC(NC)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-N-methyltridecan-1-amine?
The InChIKey is JEVULBRNIRYRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32ClNS/c1-3-4-5-6-7-8-9-10-11-12-13-17(20-2)18-16(19)14-15-21-18/h14-15,17,20H,3-13H2,1-2H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-N-methyltridecan-1-amine?
1-(3-chlorothiophen-2-yl)-N-methyltridecan-1-amine has a molecular weight of 329.98 g/mol, XLogP of 6.97, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-N-methyltridecan-1-amine is sourced from PubChem (CID 115846498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).